N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide

C18H20ClN5O2 — CID 166243490

IUPACN-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
SMILESCC1(NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCNC1
InChIInChI=1S/C18H20ClN5O2/c1-18(7-8-20-11-18)24-17(26)22-14-4-2-3-12(9-14)16(25)23-15-6-5-13(19)10-21-15/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,23,25)(H2,22,24,26)
InChIKeyREWSKQGKCBXVDN-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.86
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide

N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide (PubChem CID 166243490) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
PubChem CID166243490
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
SMILESCC1(NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCNC1
InChIInChI=1S/C18H20ClN5O2/c1-18(7-8-20-11-18)24-17(26)22-14-4-2-3-12(9-14)16(25)23-15-6-5-13(19)10-21-15/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,23,25)(H2,22,24,26)
InChIKeyREWSKQGKCBXVDN-UHFFFAOYSA-N
XLogP2.86
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
CID 166338346
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264
3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide
CID 166338478
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide
CID 166355447
3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422680
N-(5-chloro-2-pyridinyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoylamino]benzamide
CID 166200385
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide
CID 166338326

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide (CID 166243490) is N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide is CC1(NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCNC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide?
The InChIKey is REWSKQGKCBXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-18(7-8-20-11-18)24-17(26)22-14-4-2-3-12(9-14)16(25)23-15-6-5-13(19)10-21-15/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,23,25)(H2,22,24,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide?
N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide has a molecular weight of 373.84 g/mol, XLogP of 2.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide is sourced from PubChem (CID 166243490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).